1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine

C15H28N4O2 — CID 119155463

IUPAC1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
SMILESCCN/C(=N\CC1CCCC1O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C15H28N4O2/c1-3-16-15(17-9-11-5-4-6-13(11)20)18-12-7-8-14(21)19(2)10-12/h11-13,20H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyORZMMAGMHGSUGA-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.32
Rot. Bonds4

About 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine

1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine (PubChem CID 119155463) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
PubChem CID119155463
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
SMILESCCN/C(=N\CC1CCCC1O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C15H28N4O2/c1-3-16-15(17-9-11-5-4-6-13(11)20)18-12-7-8-14(21)19(2)10-12/h11-13,20H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyORZMMAGMHGSUGA-UHFFFAOYSA-N
XLogP0.32
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158630
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156266
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119155210
2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111978397
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine
CID 111996031
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111995518
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 111996581
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 119156311
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
CID 115641119
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111996580
2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 64667638
1-[(3-hydroxythiolan-3-yl)methyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119162414

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The IUPAC name of 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine (CID 119155463) is 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine is CCN/C(=N\CC1CCCC1O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
The InChIKey is ORZMMAGMHGSUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-16-15(17-9-11-5-4-6-13(11)20)18-12-7-8-14(21)19(2)10-12/h11-13,20H,3-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine?
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine has a molecular weight of 296.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine is sourced from PubChem (CID 119155463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).